4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one

C20H35N3O3 — CID 86915832

IUPAC4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCC1CCCCC1)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C20H35N3O3/c24-19(8-4-7-18-5-2-1-3-6-18)22-9-11-23(12-10-22)20(25)17-21-13-15-26-16-14-21/h18H,1-17H2
InChIKeyKVBGORXXWLZMQC-UHFFFAOYSA-N
MW365.52 g/mol
LogP1.74
Rot. Bonds6

About 4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one

4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one (PubChem CID 86915832) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one
PubChem CID86915832
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCC1CCCCC1)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C20H35N3O3/c24-19(8-4-7-18-5-2-1-3-6-18)22-9-11-23(12-10-22)20(25)17-21-13-15-26-16-14-21/h18H,1-17H2
InChIKeyKVBGORXXWLZMQC-UHFFFAOYSA-N
XLogP1.74
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(4-cyclohexylbutanoyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55824988
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 128927567
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080
1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138
1-(4-cyclohexylbutanoyl)piperidine-4-carboxamide
CID 78784857
13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one
CID 91705040
4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707393
2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 131914309
1-(4-acetylpiperazin-1-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503697
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422617
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one (CID 86915832) is 4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one is O=C(CCCC1CCCCC1)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one?
The InChIKey is KVBGORXXWLZMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c24-19(8-4-7-18-5-2-1-3-6-18)22-9-11-23(12-10-22)20(25)17-21-13-15-26-16-14-21/h18H,1-17H2.
What are the key properties of 4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one?
4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one has a molecular weight of 365.52 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 86915832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).